N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C19H18ClN3O2S2/c1-11(2)10-25-13-8-6-12(7-9-13)17(24)22-18(26)23-19-21-16-14(20)4-3-5-15(16)27-19/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24,26)